Sugi Predict

Sugi Predict / Compounds / SCHEMBL5360020

SCHEMBL5360020

SCHEMBL5360020

CCOC(=O)CN1C(=O)CN=C(c2ccccc2)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ KDM4E B2RXH2 1/20 0.64
▸ ALDH1A1 P00352 3/20 0.59
▸ MAPT P10636 3/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ RECQL P46063 1/20 0.59
▸ CCKBR P32239 3/20 0.58
▸ CCKAR P32238 1/20 0.58
▸ TP53 P04637 3/20 0.58
▸ THRB P10828 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ HDAC3 O15379 1/20 0.55
▸ HDAC1 Q13547 1/20 0.55
▸ HDAC8 Q9BY41 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55
▸ GABRA1 P14867 1/20 0.55
▸ GABRG2 P18507 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5352101 0.87 NPSR1 (0.69) SMN1; SMN2KDM4EALDH1A1MAPTCYP1A2
SCHEMBL12143204 0.86 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EALDH1A1MAPTCYP1A2
SCHEMBL8670183 0.85 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EALDH1A1MAPTCYP1A2
SCHEMBL11807441 0.85 TP53 (0.57) SMN1; SMN2KDM4EALDH1A1MAPTCYP1A2
SCHEMBL12143205 0.84 SMN1; SMN2 (0.67) SMN1; SMN2KDM4EALDH1A1MAPTCYP1A2
SCHEMBL8672792 0.84 SMN1; SMN2 (0.67) SMN1; SMN2KDM4EALDH1A1MAPTCYP1A2
SCHEMBL11804829 0.84 LMNA (0.63) SMN1; SMN2KDM4EALDH1A1MAPTCYP1A2
SCHEMBL9573577 0.82 SMN1; SMN2 (0.62) SMN1; SMN2KDM4EALDH1A1MAPTCYP1A2
SCHEMBL7945100 0.82 SMN1; SMN2 (0.64) SMN1; SMN2KDM4EALDH1A1MAPTCYP1A2
SCHEMBL9091250 0.82 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EALDH1A1MAPTCYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors FMR LLC 2016-08-04 — — US disclosed
EP-2966078-A2 Inhibitors of histone deacetylase MethylGene Inc. (CA) 2016-01-13 — — EP disclosed
US-9193749-B2 Dibenzo[b,f][1,4]oxazepin-11-yl-N-hydroxybenzamides as HDAC inhibitors FORUM PHARMACEUTICALS, INC. (US) 2015-11-24 — — US disclosed
US-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE ENVIVO PHARMACEUTICALS, INC. (US) 2015-03-19 — — US disclosed
US-20140011988-A1 Dibenzo[B,F][1,4]Oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors FMR LLC 2014-01-09 — — US disclosed
US-8399452-B2 Anticancer agents; antiproliferative agenst; antiprotozoa agents METHYLGENE INC. (CA) 2013-03-19 — — US disclosed
US-8399452-B2 Anticancer agents; antiproliferative agenst; antiprotozoa agents METHYLGENE INC. (CA) 2013-03-19 — — US disclosed
EP-2489657-A2 Inhibitors of histone deacetylase MethylGene Inc. (CA) 2012-08-22 — — EP disclosed
US-20110288070-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE FMR LLC 2011-11-24 — — US disclosed
EP-2343286-A1 Dibenzo[b,f][1,4]oxazepine derivatives as inhibitors of histone deacetylase Methylgene, Inc. (CA) 2011-07-13 — — EP disclosed
WO-2009137462-A2 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE ENVIVO PHARMACEUTICALS, INC. (US) 2009-11-12 — — WO disclosed
US-20080207590-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-08-28 — — US disclosed
US-20080207590-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-08-28 — — US disclosed
WO-2008055068-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-05-08 — — WO disclosed
US-7238685-B2 Benzo-fused heterocycles as endothelin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2007-07-03 — — US disclosed
US-20050124605-A1 Novel benzo-fused heterocycles as endothelin antagonisits ACTELION PHARMACEUTICALS LTD. 2005-06-09 — — US disclosed
WO-2003013545-A1 NOVEL BENZO-FUSED HETEROCYCLES AS ENDOTHELIN ANTAGONISITS ACTELION PHARMACEUTICALS LTD (CH) 2003-02-20 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050124605-A1 Novel benzo-fused heterocycles as endothelin antagonisits EDNRA, EDNRB, ECE1 SMN1; SMN2 4160/4885KDM4E 887/4885ALDH1A1 3710/4885
US-20110288070-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC2 SMN1; SMN2 1726/4885KDM4E 143/4885ALDH1A1 1127/4885
US-20080207590-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC11 SMN1; SMN2 4142/4885KDM4E 60/4885ALDH1A1 540/4885
US-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC2 SMN1; SMN2 1726/4885KDM4E 143/4885ALDH1A1 1127/4885
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 SMN1; SMN2 3594/4885KDM4E 52/4885ALDH1A1 235/4885
US-20140011988-A1 Dibenzo[B,F][1,4]Oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 SMN1; SMN2 3594/4885KDM4E 52/4885ALDH1A1 235/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.